data_3kvq_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 3kvq _Structure_validation_residue.Date_analyzed 2016-10-12 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 667' ' ' PRO . . . . . 0.57 ' CD ' ' O ' ' A' ' 21' ' ' HOH . 10.4 Cg_exo . . . . . 0 N--CA 1.453 -0.865 0 N-CA-C 113.201 0.423 . . . . 57.09 113.201 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 668' ' ' THR . . . . . . . . . . . . . 2.2 m -124.55 82.14 2.01 Favored 'General case' 0 C--O 1.263 1.796 0 C-N-CA 118.556 -1.258 . . . . 61.23 114.308 166.6 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 669' ' ' ILE . . . . . . . . . . . . . 82.3 mt -76.7 140.99 16.28 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.04 0 C-N-CA 118.774 -1.17 . . . . 55.56 110.869 -176.583 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 670' ' ' THR . . . . . . . . . . . . . 1.8 p -133.93 172.28 13.02 Favored 'General case' 0 CA--C 1.555 1.138 0 N-CA-C 107.163 -1.421 . . . . 57.94 107.163 173.776 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 671' ' ' GLY . . . . . . . . . . . . . . . 96.02 154.07 30.22 Favored Glycine 0 C--O 1.25 1.145 0 N-CA-C 117.289 1.676 . . . . 56.32 117.289 178.041 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 672' ' ' ASN . . . . . . . . . . . . . 56.1 p30 -62.98 42.72 0.01 OUTLIER 'General case' 0 C--O 1.254 1.302 1 N-CA-C 123.001 4.445 . . . . 54.9 123.001 -162.148 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 673' ' ' LEU . . . . . . . . . . . . . 17.6 tp -81.37 98.22 8.09 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 118.141 -1.424 . . . . 48.54 109.678 170.688 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -133.67 154.6 50.8 Favored 'General case' 0 CA--C 1.482 -1.66 0 CA-C-N 114.877 -1.056 . . . . 65.6 108.301 -179.161 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 675' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -50.22 146.49 5.02 Favored 'General case' 0 CA--C 1.49 -1.353 0 O-C-N 124.215 0.947 . . . . 46.3 111.794 173.505 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 676' ' ' GLN . . . . . . . . . . . . . 20.9 pt20 -172.1 155.1 3.59 Favored 'General case' 0 CA--C 1.486 -1.498 0 N-CA-C 118.546 2.795 . . . . 36.56 118.546 -179.357 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 677' ' ' THR . . . . . . . . . . . . 0.253 0.3 OUTLIER -117.54 138.92 51.59 Favored 'General case' 0 N--CA 1.437 -1.1 0 CA-C-N 111.484 -2.598 . . . . 42.68 109.031 -170.818 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 678' ' ' THR . . . . . . . . . . . . . 1.8 m -145.16 143.72 30.49 Favored 'General case' 0 N--CA 1.425 -1.706 0 N-CA-C 107.284 -1.376 . . . . 34.54 107.284 -175.406 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 7.3 m -80.07 137.83 36.85 Favored 'General case' 0 CA--C 1.491 -1.317 0 CA-C-N 113.413 -1.721 . . . . 33.26 107.349 175.553 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 680' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -45.85 144.14 0.65 Allowed 'Isoleucine or valine' 0 C--O 1.195 -1.813 0 CA-C-N 113.664 -1.607 . . . . 44.45 111.773 175.189 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 681' ' ' GLY . . . . . . . . . . . . . . . 73.75 -3.48 34.89 Favored Glycine 0 C--O 1.198 -2.112 0 CA-C-O 117.689 -1.617 . . . . 27.86 115.125 -173.585 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 682' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -96.23 -160.75 0.81 Allowed 'General case' 0 C--O 1.247 0.964 0 CA-C-N 121.347 2.573 . . . . 60.85 114.436 174.477 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 683' ' ' SER . . . . . . . . . . . . 0.259 3.4 m -117.77 148.78 41.72 Favored 'General case' 0 CA--C 1.498 -1.041 0 C-N-CA 124.808 1.243 . . . . 25.33 110.779 -171.215 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 684' ' ' ILE . . . . . . . . . . . . . 31.9 mt -120.98 132.92 69.24 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 N-CA-C 108.103 -1.073 . . . . 22.86 108.103 163.863 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -125.58 108.58 11.73 Favored 'General case' 0 C--N 1.309 -1.163 0 N-CA-C 106.556 -1.646 . . . . 56.18 106.556 177.918 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 686' ' ' VAL . . . . . . . . . . . . . 26.8 m -126.91 170.37 16.95 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.375 0 C-N-CA 117.078 -1.849 . . . . 26.3 110.092 173.907 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 687' ' ' SER . . . . . . . . . . . . . 5.3 p -152.91 144.41 23.37 Favored 'General case' 0 C--O 1.211 -0.946 0 N-CA-C 115.659 1.726 . . . . 33.21 115.659 173.773 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 688' ' ' CYS . . . . . . . . . . . . . 80.9 m -112.91 142.47 45.54 Favored 'General case' 0 C--N 1.331 -0.204 0 O-C-N 124.189 0.93 . . . . 46.14 110.555 166.824 -70.858 -176.496 -80.702 103.302 2.041 109.116 -169.407 77.99 1 1 . 1 . 001 ecloud orig full ' A' A ' 689' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -134.47 123.49 24.06 Favored 'General case' 0 C--O 1.21 -0.999 0 N-CA-C 107.886 -1.153 . . . . 47.74 107.886 173.144 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 690' ' ' ALA . . . . . . . . . . . . . . . -96.23 152.23 18.76 Favored 'General case' 0 CA--C 1.563 1.444 0 N-CA-C 115.655 1.724 . . . . 47.31 115.655 178.3 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 691' ' ' SER . . . . . . . . . . . . . 87.4 p . . . . . 0 N--CA 1.493 1.696 0 C-N-CA 124.568 1.147 . . . . 52.18 110.262 173.765 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 696' ' ' PRO . . . . . 0.461 ' CG ' ' O ' ' A' ' 22' ' ' HOH . 42.6 Cg_endo . . . . . 0 CA--C 1.502 -1.107 0 CA-C-O 119.469 -0.305 . . . . 61.2 111.412 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 697' ' ' GLN . . . . . . . . . . . . . . . -78.05 127.96 33.13 Favored 'General case' 0 C--O 1.258 1.503 0 O-C-N 124.968 1.417 . . . . 58.18 113.088 -177.989 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 5.6 mt -89.39 130.55 38.54 Favored 'Isoleucine or valine' 0 C--N 1.349 0.572 0 O-C-N 124.381 1.051 . . . . 57.37 112.736 175.056 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 699' ' ' MET . . . . . 0.89 ' CG ' ' O ' ' A' ' 29' ' ' HOH . 84.0 mmm -124.03 148.94 46.63 Favored 'General case' 0 N--CA 1.489 1.478 0 CA-C-N 115.611 -0.722 . . . . 77.97 112.219 177.29 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 700' ' ' TRP . . . . . . . . . . . . . 85.5 m95 -119.86 140.87 50.16 Favored 'General case' 0 N--CA 1.482 1.17 0 CA-C-O 118.984 -0.531 . . . . 40.87 112.131 -173.567 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 701' ' ' PHE . . . . . 0.428 ' CD2' ' N ' ' A' ' 701' ' ' PHE . 8.0 m-85 -128.23 152.06 48.53 Favored 'General case' 0 C--O 1.251 1.167 0 N-CA-C 113.953 1.094 . . . . 41.75 113.953 174.962 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 702' ' ' LYS . . . . . . . . . . . . . 8.1 tttm -127.66 123.75 36.3 Favored 'General case' 0 C--O 1.263 1.766 0 C-N-CA 118.464 -1.294 . . . . 42.48 107.97 170.633 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 703' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 49.84 53.02 13.5 Favored 'General case' 0 N--CA 1.482 1.172 0 O-C-N 125.288 1.617 . . . . 45.56 106.743 -172.817 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 704' ' ' ASN . . . . . . . . . . . . . 27.0 m120 48.04 42.61 17.07 Favored 'General case' 0 C--O 1.198 -1.614 0 CA-C-N 112.992 -1.913 . . . . 51.48 114.084 -178.641 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 705' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -139.34 160.22 40.34 Favored 'General case' 0 N--CA 1.424 -1.757 0 C-N-CA 118.952 -1.099 . . . . 72.0 108.185 172.348 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 706' ' ' THR . . . . . 0.494 ' CG2' ' O ' ' A' ' 32' ' ' HOH . 54.4 m -65.19 140.61 58.78 Favored 'General case' 0 N--CA 1.427 -1.588 0 N-CA-C 105.779 -1.934 . . . . 50.26 105.779 -173.266 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 707' ' ' LEU . . . . . . . . . . . . . 26.7 tp -65.85 105.6 1.33 Allowed 'General case' 0 N--CA 1.423 -1.815 0 CA-C-N 112.714 -2.039 . . . . 48.3 108.745 -177.201 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 708' ' ' VAL . . . . . . . . . . . . . 15.3 t -64.7 100.6 0.29 Allowed 'Isoleucine or valine' 0 CA--C 1.557 1.224 0 CA-C-N 119.31 0.959 . . . . 48.62 112.739 172.903 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 709' ' ' GLU . . . . . 0.605 ' CB ' ' O ' ' A' ' 34' ' ' HOH . 24.0 mt-10 -54.41 141.33 30.92 Favored 'General case' 0 CA--C 1.571 1.776 0 CA-C-N 120.467 1.485 . . . . 61.62 111.322 169.904 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 710' ' ' ASP . . . . . 0.524 ' N ' ' O ' ' A' ' 34' ' ' HOH . 1.4 p30 -147.15 168.74 20.87 Favored 'General case' 0 CA--C 1.496 -1.124 0 N-CA-C 102.381 -3.192 . . . . 41.26 102.381 175.46 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -46.22 -25.36 0.6 Allowed 'General case' 0 N--CA 1.422 -1.834 0 N-CA-C 117.186 2.291 . . . . 26.22 117.186 -177.476 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 712' ' ' GLY . . . . . . . . . . . . . . . -95.21 -4.4 61.19 Favored Glycine 0 C--N 1.351 1.408 0 CA-C-N 119.028 0.831 . . . . 21.09 113.702 -179.975 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 713' ' ' ILE . . . . . . . . . . . . . 66.8 mt -116.96 117.31 55.0 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 N-CA-C 107.045 -1.465 . . . . 29.18 107.045 -175.617 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 714' ' ' VAL . . . . . . . . . . . . . 79.9 t -129.31 118.23 45.37 Favored 'Isoleucine or valine' 0 C--O 1.246 0.883 0 N-CA-C 108.169 -1.049 . . . . 33.38 108.169 -172.464 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 715' ' ' LEU . . . . . . . . . . . . . 61.0 mt -90.44 133.31 35.11 Favored 'General case' 0 N--CA 1.498 1.939 0 CA-C-N 114.912 -1.04 . . . . 33.65 111.665 169.939 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 716' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.23 156.8 42.39 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 113.804 1.038 . . . . 59.26 113.804 175.795 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 717' ' ' ASP . . . . . . . . . . . . . 53.7 t0 60.97 66.43 0.9 Allowed 'General case' 0 CA--C 1.47 -2.109 0 CA-C-N 115.111 -0.95 . . . . 34.25 110.487 164.511 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 718' ' ' GLY . . . . . . . . . . . . . . . 67.29 25.33 73.61 Favored Glycine 0 N--CA 1.411 -2.985 0 C-N-CA 119.261 -1.447 . . . . 30.79 109.642 176.514 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 719' ' ' ASN . . . . . . . . . . . . . 51.3 m-20 64.8 22.2 12.5 Favored 'General case' 0 CA--C 1.478 -1.824 0 N-CA-C 114.224 1.194 . . . . 38.75 114.224 -178.625 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 720' ' ' ARG . . . . . . . . . . . . . 71.7 mtt85 -81.27 -34.7 31.88 Favored 'General case' 0 N--CA 1.431 -1.42 0 N-CA-C 113.929 1.085 . . . . 31.22 113.929 174.198 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 721' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -96.35 123.32 39.95 Favored 'General case' 0 CA--C 1.49 -1.358 0 CA-C-N 119.368 0.985 . . . . 53.71 112.242 178.636 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 722' ' ' LEU . . . . . . . . . . . . . 18.9 tp -106.54 128.95 54.52 Favored 'General case' 0 N--CA 1.468 0.469 0 O-C-N 124.234 0.959 . . . . 25.13 109.267 172.443 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 723' ' ' THR . . . . . . . . . . . . . 97.9 m -126.16 133.37 51.6 Favored 'General case' 0 N--CA 1.502 2.127 0 CA-C-N 115.959 -0.564 . . . . 24.12 111.785 173.013 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 724' ' ' ILE . . . . . . . . . . . . . 7.4 mt -121.37 122.48 67.41 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.71 0 N-CA-C 106.959 -1.497 . . . . 19.07 106.959 176.007 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 725' ' ' ARG . . . . . . . . . . . . . 52.0 mtt85 -107.61 144.23 34.93 Favored 'General case' 0 N--CA 1.448 -0.565 0 O-C-N 123.79 0.681 . . . . 59.38 109.943 -178.184 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 726' ' ' ARG . . . . . . . . . . . . . 88.8 mtt180 58.23 54.84 5.47 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 108.417 -0.957 . . . . 19.87 108.417 178.588 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 727' ' ' VAL . . . . . . . . . . . . . 27.5 m -57.41 139.32 17.16 Favored 'Isoleucine or valine' 0 CA--C 1.491 -1.325 0 N-CA-C 108.156 -1.053 . . . . 26.89 108.156 -173.939 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 728' ' ' ARG . . . . . . . . . . . . . 16.9 ptt180 -120.5 178.44 4.67 Favored 'General case' 0 CA--C 1.562 1.411 0 CA-C-N 115.125 -0.943 . . . . 42.0 111.489 172.275 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 729' ' ' LYS . . . . . 0.479 ' NZ ' ' O ' ' A' ' 754' ' ' ILE . 26.4 tptt -59.87 -45.47 92.36 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 120.045 -0.662 . . . . 52.19 112.382 -177.247 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 730' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -53.03 -4.85 0.03 OUTLIER 'General case' 0 CA--C 1.566 1.588 0 N-CA-C 116.382 1.993 . . . . 67.16 116.382 175.623 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 731' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -90.82 -0.89 57.85 Favored 'General case' 0 N--CA 1.488 1.441 0 CA-C-N 119.902 1.228 . . . . 32.81 108.579 -177.664 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 732' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -84.51 136.89 33.63 Favored 'General case' 0 N--CA 1.428 -1.564 0 N-CA-C 106.682 -1.599 . . . . 41.51 106.682 -167.368 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 733' ' ' GLY . . . . . . . . . . . . . . . 156.61 -166.58 33.37 Favored Glycine 0 N--CA 1.405 -3.409 0 C-N-CA 116.44 -2.79 . . . . 26.29 108.044 -178.425 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 734' ' ' LEU . . . . . . . . . . . . . 12.8 tp -107.59 121.88 45.55 Favored 'General case' 0 N--CA 1.44 -0.933 0 N-CA-C 108.004 -1.109 . . . . 28.15 108.004 -167.942 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 735' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 -113.5 128.99 56.64 Favored 'General case' 0 CA--C 1.49 -1.33 0 N-CA-C 107.45 -1.315 . . . . 29.88 107.45 -169.74 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 736' ' ' THR . . . . . . . . . . . . . 4.0 m -118.1 134.84 54.62 Favored 'General case' 0 CA--C 1.491 -1.301 0 C-N-CA 120.088 -0.645 . . . . 33.49 111.966 179.101 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 737' ' ' CYS . . . . . 0.471 ' SG ' ' O ' ' A' ' 737' ' ' CYS . 12.0 p -113.75 120.55 41.19 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 118.418 -1.313 . . . . 41.26 108.362 168.944 77.99 -169.407 -80.702 109.116 2.041 103.302 -176.496 -70.858 2 2 . 1 . 001 ecloud orig full ' A' A ' 738' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -111.84 136.39 51.2 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.584 -1.189 . . . . 44.46 113.557 -173.788 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 739' ' ' ALA . . . . . . . . . . . . . . . -113.14 126.75 55.79 Favored 'General case' 0 N--CA 1.482 1.149 0 N-CA-C 105.304 -2.109 . . . . 58.95 105.304 172.208 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 740' ' ' CYS . . . . . 0.607 ' SG ' ' SG ' ' A' ' 745' ' ' CYS . 0.7 OUTLIER . . . . . 0 C--O 1.29 3.191 0 CA-C-N 114.943 -1.026 . . . . 75.05 112.079 -169.405 -106.282 -11.631 -2.428 112.551 2.988 156.106 27.594 -134.477 2 2 . 1 . 001 ecloud orig full ' A' A ' 745' ' ' CYS . . . . . 0.607 ' SG ' ' SG ' ' A' ' 740' ' ' CYS . 0.1 OUTLIER . . . . . 0 C--O 1.276 2.475 0 N-CA-C 109.796 -0.446 . . . . 76.78 109.796 . -134.477 27.594 -2.428 156.106 2.988 112.551 -11.631 -106.282 2 2 . 1 . 001 ecloud orig full ' A' A ' 746' ' ' ALA . . . . . . . . . . . . . . . -113.34 166.88 11.05 Favored 'General case' 0 C--N 1.413 3.352 0 O-C-N 117.268 -3.395 . . . . 53.04 109.176 -178.902 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 747' ' ' LYS . . . . . . . . . . . . . 4.0 ttpt -155.45 149.26 25.39 Favored 'General case' 0 N--CA 1.431 -1.382 0 CA-C-N 116.292 -0.413 . . . . 46.96 110.69 -174.637 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 748' ' ' VAL . . . . . . . . . . . . . 59.2 t -132.12 145.24 35.07 Favored 'Isoleucine or valine' 0 C--O 1.257 1.469 0 N-CA-C 107.001 -1.481 . . . . 36.06 107.001 163.357 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 749' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -119.89 148.45 43.48 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 119.44 -0.904 . . . . 53.91 110.492 177.393 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 750' ' ' ALA . . . . . . . . . . . . . . . -151.34 142.17 22.88 Favored 'General case' 0 CA--C 1.489 -1.379 0 N-CA-C 108.497 -0.927 . . . . 27.13 108.497 171.994 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 751' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -100.22 136.99 39.26 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 107.88 -1.155 . . . . 24.3 107.88 179.422 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 752' ' ' PHE . . . . . . . . . . . . . 20.3 m-30 -111.15 119.91 40.53 Favored 'General case' 0 CA--C 1.563 1.464 0 CA-C-O 120.998 0.427 . . . . 27.94 111.655 178.454 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 753' ' ' ILE . . . . . . . . . . . . . 5.3 mt -97.52 125.87 50.54 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 O-C-N 121.559 -0.713 . . . . 29.26 110.119 173.281 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 754' ' ' ILE . . . . . 0.479 ' O ' ' NZ ' ' A' ' 729' ' ' LYS . 19.4 mm -93.45 98.62 8.5 Favored 'Isoleucine or valine' 0 CA--C 1.576 1.953 0 CA-C-O 118.369 -0.824 . . . . 36.23 112.156 169.797 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 755' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -69.32 -176.65 0.98 Allowed 'General case' 0 N--CA 1.515 2.819 0 N-CA-C 115.135 1.532 . . . . 64.94 115.135 173.237 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 756' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 2.651 0 N-CA-C 109.847 -1.301 . . . . 46.82 109.847 177.147 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' HOH . . . . . 0.57 ' O ' ' CD ' ' A' ' 667' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' HOH . . . . . 0.552 ' O ' ' C ' ' A' ' 740' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' HOH . . . . . 0.89 ' O ' ' CG ' ' A' ' 699' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' HOH . . . . . 0.636 ' O ' ' CE ' ' A' ' 699' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' HOH . . . . . 0.494 ' O ' ' CG2' ' A' ' 706' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' HOH . . . . . 0.605 ' O ' ' CB ' ' A' ' 709' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 667' ' ' PRO . . . . . 0.833 ' HD3' ' O ' ' A' ' 21' ' ' HOH . 10.4 Cg_exo . . . . . 0 N--CA 1.453 -0.865 0 N-CA-C 113.201 0.423 . . . . 57.09 113.201 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 668' ' ' THR . . . . . 0.645 ' HB ' ' OG ' ' A' ' 691' ' ' SER . 2.2 m -124.55 82.14 2.01 Favored 'General case' 0 C--O 1.263 1.796 0 C-N-CA 118.556 -1.258 . . . . 61.23 114.308 166.6 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 669' ' ' ILE . . . . . . . . . . . . . 82.3 mt -76.7 140.99 16.28 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.04 0 C-N-CA 118.774 -1.17 . . . . 55.56 110.869 -176.583 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 670' ' ' THR . . . . . . . . . . . . . 1.8 p -133.93 172.28 13.02 Favored 'General case' 0 CA--C 1.555 1.138 0 N-CA-C 107.163 -1.421 . . . . 57.94 107.163 173.776 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 671' ' ' GLY . . . . . 0.695 ' HA3' ' O ' ' A' ' 23' ' ' HOH . . . 96.02 154.07 30.22 Favored Glycine 0 C--O 1.25 1.145 0 N-CA-C 117.289 1.676 . . . . 56.32 117.289 178.041 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 672' ' ' ASN . . . . . . . . . . . . . 56.1 p30 -62.98 42.72 0.01 OUTLIER 'General case' 0 C--O 1.254 1.302 1 N-CA-C 123.001 4.445 . . . . 54.9 123.001 -162.148 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 673' ' ' LEU . . . . . . . . . . . . . 17.6 tp -81.37 98.22 8.09 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 118.141 -1.424 . . . . 48.54 109.678 170.688 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -133.67 154.6 50.8 Favored 'General case' 0 CA--C 1.482 -1.66 0 CA-C-N 114.877 -1.056 . . . . 65.6 108.301 -179.161 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 675' ' ' ASN . . . . . 0.458 ' O ' ' HB3' ' A' ' 676' ' ' GLN . 88.1 m-20 -50.22 146.49 5.02 Favored 'General case' 0 CA--C 1.49 -1.353 0 O-C-N 124.215 0.947 . . . . 46.3 111.794 173.505 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 676' ' ' GLN . . . . . 0.458 ' HB3' ' O ' ' A' ' 675' ' ' ASN . 20.9 pt20 -172.1 155.1 3.59 Favored 'General case' 0 CA--C 1.486 -1.498 0 N-CA-C 118.546 2.795 . . . . 36.56 118.546 -179.357 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 677' ' ' THR . . . . . . . . . . . . 0.253 0.3 OUTLIER -117.54 138.92 51.59 Favored 'General case' 0 N--CA 1.437 -1.1 0 CA-C-N 111.484 -2.598 . . . . 42.68 109.031 -170.818 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 678' ' ' THR . . . . . . . . . . . . . 1.8 m -145.16 143.72 30.49 Favored 'General case' 0 N--CA 1.425 -1.706 0 N-CA-C 107.284 -1.376 . . . . 34.54 107.284 -175.406 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 7.3 m -80.07 137.83 36.85 Favored 'General case' 0 CA--C 1.491 -1.317 0 CA-C-N 113.413 -1.721 . . . . 33.26 107.349 175.553 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 680' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -45.85 144.14 0.65 Allowed 'Isoleucine or valine' 0 C--O 1.195 -1.813 0 CA-C-N 113.664 -1.607 . . . . 44.45 111.773 175.189 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 681' ' ' GLY . . . . . . . . . . . . . . . 73.75 -3.48 34.89 Favored Glycine 0 C--O 1.198 -2.112 0 CA-C-O 117.689 -1.617 . . . . 27.86 115.125 -173.585 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 682' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -96.23 -160.75 0.81 Allowed 'General case' 0 C--O 1.247 0.964 0 CA-C-N 121.347 2.573 . . . . 60.85 114.436 174.477 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 683' ' ' SER . . . . . . . . . . . . 0.259 3.4 m -117.77 148.78 41.72 Favored 'General case' 0 CA--C 1.498 -1.041 0 C-N-CA 124.808 1.243 . . . . 25.33 110.779 -171.215 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 684' ' ' ILE . . . . . . . . . . . . . 31.9 mt -120.98 132.92 69.24 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 N-CA-C 108.103 -1.073 . . . . 22.86 108.103 163.863 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -125.58 108.58 11.73 Favored 'General case' 0 C--N 1.309 -1.163 0 N-CA-C 106.556 -1.646 . . . . 56.18 106.556 177.918 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 686' ' ' VAL . . . . . . . . . . . . . 26.8 m -126.91 170.37 16.95 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.375 0 C-N-CA 117.078 -1.849 . . . . 26.3 110.092 173.907 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 687' ' ' SER . . . . . . . . . . . . . 5.3 p -152.91 144.41 23.37 Favored 'General case' 0 C--O 1.211 -0.946 0 N-CA-C 115.659 1.726 . . . . 33.21 115.659 173.773 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 688' ' ' CYS . . . . . . . . . . . . . 80.9 m -112.91 142.47 45.54 Favored 'General case' 0 C--N 1.331 -0.204 0 O-C-N 124.189 0.93 . . . . 46.14 110.555 166.824 -70.858 -176.496 -80.702 103.302 2.041 109.116 -169.407 77.99 1 1 . 1 . 001 ecloud build full ' A' A ' 689' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -134.47 123.49 24.06 Favored 'General case' 0 C--O 1.21 -0.999 0 N-CA-C 107.886 -1.153 . . . . 47.74 107.886 173.144 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 690' ' ' ALA . . . . . . . . . . . . . . . -96.23 152.23 18.76 Favored 'General case' 0 CA--C 1.563 1.444 0 N-CA-C 115.655 1.724 . . . . 47.31 115.655 178.3 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 691' ' ' SER . . . . . 0.645 ' OG ' ' HB ' ' A' ' 668' ' ' THR . 87.4 p . . . . . 0 N--CA 1.493 1.696 0 C-N-CA 124.568 1.147 . . . . 52.18 110.262 173.765 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 696' ' ' PRO . . . . . 0.618 ' HG3' ' O ' ' A' ' 22' ' ' HOH . 42.6 Cg_endo . . . . . 0 CA--C 1.502 -1.107 0 CA-C-O 119.469 -0.305 . . . . 61.2 111.412 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 697' ' ' GLN . . . . . . . . . . . . . . . -78.05 127.96 33.13 Favored 'General case' 0 C--O 1.258 1.503 0 O-C-N 124.968 1.417 . . . . 58.18 113.088 -177.989 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 5.6 mt -89.39 130.55 38.54 Favored 'Isoleucine or valine' 0 C--N 1.349 0.572 0 O-C-N 124.381 1.051 . . . . 57.37 112.736 175.056 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 699' ' ' MET . . . . . 1.027 ' HG3' ' O ' ' A' ' 29' ' ' HOH . 84.0 mmm -124.03 148.94 46.63 Favored 'General case' 0 N--CA 1.489 1.478 0 CA-C-N 115.611 -0.722 . . . . 77.97 112.219 177.29 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 700' ' ' TRP . . . . . . . . . . . . . 85.5 m95 -119.86 140.87 50.16 Favored 'General case' 0 N--CA 1.482 1.17 0 CA-C-O 118.984 -0.531 . . . . 40.87 112.131 -173.567 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 701' ' ' PHE . . . . . 0.428 ' CD2' ' N ' ' A' ' 701' ' ' PHE . 8.0 m-85 -128.23 152.06 48.53 Favored 'General case' 0 C--O 1.251 1.167 0 N-CA-C 113.953 1.094 . . . . 41.75 113.953 174.962 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 702' ' ' LYS . . . . . . . . . . . . . 8.1 tttm -127.66 123.75 36.3 Favored 'General case' 0 C--O 1.263 1.766 0 C-N-CA 118.464 -1.294 . . . . 42.48 107.97 170.633 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 703' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 49.84 53.02 13.5 Favored 'General case' 0 N--CA 1.482 1.172 0 O-C-N 125.288 1.617 . . . . 45.56 106.743 -172.817 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 704' ' ' ASN . . . . . . . . . . . . . 27.0 m120 48.04 42.61 17.07 Favored 'General case' 0 C--O 1.198 -1.614 0 CA-C-N 112.992 -1.913 . . . . 51.48 114.084 -178.641 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 705' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -139.34 160.22 40.34 Favored 'General case' 0 N--CA 1.424 -1.757 0 C-N-CA 118.952 -1.099 . . . . 72.0 108.185 172.348 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 706' ' ' THR . . . . . 0.61 HG23 ' O ' ' A' ' 32' ' ' HOH . 54.4 m -65.19 140.61 58.78 Favored 'General case' 0 N--CA 1.427 -1.588 0 N-CA-C 105.779 -1.934 . . . . 50.26 105.779 -173.266 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 707' ' ' LEU . . . . . 0.404 ' HA ' HD12 ' A' ' 707' ' ' LEU . 26.7 tp -65.85 105.6 1.33 Allowed 'General case' 0 N--CA 1.423 -1.815 0 CA-C-N 112.714 -2.039 . . . . 48.3 108.745 -177.201 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 708' ' ' VAL . . . . . . . . . . . . . 15.3 t -64.7 100.6 0.29 Allowed 'Isoleucine or valine' 0 CA--C 1.557 1.224 0 CA-C-N 119.31 0.959 . . . . 48.62 112.739 172.903 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 709' ' ' GLU . . . . . 1.007 ' HB3' ' O ' ' A' ' 34' ' ' HOH . 24.0 mt-10 -54.41 141.33 30.92 Favored 'General case' 0 CA--C 1.571 1.776 0 CA-C-N 120.467 1.485 . . . . 61.62 111.322 169.904 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 710' ' ' ASP . . . . . 0.524 ' N ' ' O ' ' A' ' 34' ' ' HOH . 1.4 p30 -147.15 168.74 20.87 Favored 'General case' 0 CA--C 1.496 -1.124 0 N-CA-C 102.381 -3.192 . . . . 41.26 102.381 175.46 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -46.22 -25.36 0.6 Allowed 'General case' 0 N--CA 1.422 -1.834 0 N-CA-C 117.186 2.291 . . . . 26.22 117.186 -177.476 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 712' ' ' GLY . . . . . 0.425 ' O ' ' HA ' ' A' ' 724' ' ' ILE . . . -95.21 -4.4 61.19 Favored Glycine 0 C--N 1.351 1.408 0 CA-C-N 119.028 0.831 . . . . 21.09 113.702 -179.975 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 713' ' ' ILE . . . . . . . . . . . . . 66.8 mt -116.96 117.31 55.0 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 N-CA-C 107.045 -1.465 . . . . 29.18 107.045 -175.617 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 714' ' ' VAL . . . . . . . . . . . . . 79.9 t -129.31 118.23 45.37 Favored 'Isoleucine or valine' 0 C--O 1.246 0.883 0 N-CA-C 108.169 -1.049 . . . . 33.38 108.169 -172.464 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 715' ' ' LEU . . . . . 0.45 HD23 ' HA ' ' A' ' 715' ' ' LEU . 61.0 mt -90.44 133.31 35.11 Favored 'General case' 0 N--CA 1.498 1.939 0 CA-C-N 114.912 -1.04 . . . . 33.65 111.665 169.939 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 716' ' ' LYS . . . . . 0.497 ' HE3' ' O ' ' A' ' 2' ' ' HOH . 0.0 OUTLIER -128.23 156.8 42.39 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 113.804 1.038 . . . . 59.26 113.804 175.795 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 717' ' ' ASP . . . . . . . . . . . . . 53.7 t0 60.97 66.43 0.9 Allowed 'General case' 0 CA--C 1.47 -2.109 0 CA-C-N 115.111 -0.95 . . . . 34.25 110.487 164.511 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 718' ' ' GLY . . . . . . . . . . . . . . . 67.29 25.33 73.61 Favored Glycine 0 N--CA 1.411 -2.985 0 C-N-CA 119.261 -1.447 . . . . 30.79 109.642 176.514 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 719' ' ' ASN . . . . . . . . . . . . . 51.3 m-20 64.8 22.2 12.5 Favored 'General case' 0 CA--C 1.478 -1.824 0 N-CA-C 114.224 1.194 . . . . 38.75 114.224 -178.625 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 720' ' ' ARG . . . . . . . . . . . . . 71.7 mtt85 -81.27 -34.7 31.88 Favored 'General case' 0 N--CA 1.431 -1.42 0 N-CA-C 113.929 1.085 . . . . 31.22 113.929 174.198 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 721' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -96.35 123.32 39.95 Favored 'General case' 0 CA--C 1.49 -1.358 0 CA-C-N 119.368 0.985 . . . . 53.71 112.242 178.636 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 722' ' ' LEU . . . . . . . . . . . . . 18.9 tp -106.54 128.95 54.52 Favored 'General case' 0 N--CA 1.468 0.469 0 O-C-N 124.234 0.959 . . . . 25.13 109.267 172.443 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 723' ' ' THR . . . . . . . . . . . . . 97.9 m -126.16 133.37 51.6 Favored 'General case' 0 N--CA 1.502 2.127 0 CA-C-N 115.959 -0.564 . . . . 24.12 111.785 173.013 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 724' ' ' ILE . . . . . 0.425 ' HA ' ' O ' ' A' ' 712' ' ' GLY . 7.4 mt -121.37 122.48 67.41 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.71 0 N-CA-C 106.959 -1.497 . . . . 19.07 106.959 176.007 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 725' ' ' ARG . . . . . . . . . . . . . 52.0 mtt85 -107.61 144.23 34.93 Favored 'General case' 0 N--CA 1.448 -0.565 0 O-C-N 123.79 0.681 . . . . 59.38 109.943 -178.184 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 726' ' ' ARG . . . . . . . . . . . . . 88.8 mtt180 58.23 54.84 5.47 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 108.417 -0.957 . . . . 19.87 108.417 178.588 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 727' ' ' VAL . . . . . . . . . . . . . 27.5 m -57.41 139.32 17.16 Favored 'Isoleucine or valine' 0 CA--C 1.491 -1.325 0 N-CA-C 108.156 -1.053 . . . . 26.89 108.156 -173.939 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 728' ' ' ARG . . . . . . . . . . . . . 16.9 ptt180 -120.5 178.44 4.67 Favored 'General case' 0 CA--C 1.562 1.411 0 CA-C-N 115.125 -0.943 . . . . 42.0 111.489 172.275 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 729' ' ' LYS . . . . . . . . . . . . . 26.4 tptt -59.87 -45.47 92.36 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 120.045 -0.662 . . . . 52.19 112.382 -177.247 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 730' ' ' GLU . . . . . 0.519 ' CD ' ' H ' ' A' ' 730' ' ' GLU . 3.3 mp0 -53.03 -4.85 0.03 OUTLIER 'General case' 0 CA--C 1.566 1.588 0 N-CA-C 116.382 1.993 . . . . 67.16 116.382 175.623 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 731' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -90.82 -0.89 57.85 Favored 'General case' 0 N--CA 1.488 1.441 0 CA-C-N 119.902 1.228 . . . . 32.81 108.579 -177.664 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 732' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -84.51 136.89 33.63 Favored 'General case' 0 N--CA 1.428 -1.564 0 N-CA-C 106.682 -1.599 . . . . 41.51 106.682 -167.368 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 733' ' ' GLY . . . . . . . . . . . . . . . 156.61 -166.58 33.37 Favored Glycine 0 N--CA 1.405 -3.409 0 C-N-CA 116.44 -2.79 . . . . 26.29 108.044 -178.425 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 734' ' ' LEU . . . . . . . . . . . . . 12.8 tp -107.59 121.88 45.55 Favored 'General case' 0 N--CA 1.44 -0.933 0 N-CA-C 108.004 -1.109 . . . . 28.15 108.004 -167.942 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 735' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 -113.5 128.99 56.64 Favored 'General case' 0 CA--C 1.49 -1.33 0 N-CA-C 107.45 -1.315 . . . . 29.88 107.45 -169.74 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 736' ' ' THR . . . . . 0.438 ' CG2' ' HG2' ' A' ' 747' ' ' LYS . 4.0 m -118.1 134.84 54.62 Favored 'General case' 0 CA--C 1.491 -1.301 0 C-N-CA 120.088 -0.645 . . . . 33.49 111.966 179.101 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 737' ' ' CYS . . . . . 0.471 ' SG ' ' O ' ' A' ' 737' ' ' CYS . 12.0 p -113.75 120.55 41.19 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 118.418 -1.313 . . . . 41.26 108.362 168.944 77.99 -169.407 -80.702 109.116 2.041 103.302 -176.496 -70.858 2 2 . 1 . 001 ecloud build full ' A' A ' 738' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -111.84 136.39 51.2 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.584 -1.189 . . . . 44.46 113.557 -173.788 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 739' ' ' ALA . . . . . . . . . . . . . . . -113.14 126.75 55.79 Favored 'General case' 0 N--CA 1.482 1.149 0 N-CA-C 105.304 -2.109 . . . . 58.95 105.304 172.208 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 740' ' ' CYS . . . . . 0.552 ' C ' ' O ' ' A' ' 22' ' ' HOH . 0.7 OUTLIER . . . . . 0 C--O 1.29 3.191 0 CA-C-N 114.943 -1.026 . . . . 75.05 112.079 -169.405 -106.282 -11.631 -2.428 112.551 2.988 156.106 27.594 -134.477 2 2 . 1 . 001 ecloud build full ' A' A ' 745' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.276 2.475 0 N-CA-C 109.796 -0.446 . . . . 76.78 109.796 . -134.477 27.594 -2.428 156.106 2.988 112.551 -11.631 -106.282 1 1 . 1 . 001 ecloud build full ' A' A ' 746' ' ' ALA . . . . . . . . . . . . . . . -113.34 166.88 11.05 Favored 'General case' 0 C--N 1.413 3.352 0 O-C-N 117.268 -3.395 . . . . 53.04 109.176 -178.902 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 747' ' ' LYS . . . . . 0.438 ' HG2' ' CG2' ' A' ' 736' ' ' THR . 4.0 ttpt -155.45 149.26 25.39 Favored 'General case' 0 N--CA 1.431 -1.382 0 CA-C-N 116.292 -0.413 . . . . 46.96 110.69 -174.637 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 748' ' ' VAL . . . . . . . . . . . . . 59.2 t -132.12 145.24 35.07 Favored 'Isoleucine or valine' 0 C--O 1.257 1.469 0 N-CA-C 107.001 -1.481 . . . . 36.06 107.001 163.357 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 749' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -119.89 148.45 43.48 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 119.44 -0.904 . . . . 53.91 110.492 177.393 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 750' ' ' ALA . . . . . . . . . . . . . . . -151.34 142.17 22.88 Favored 'General case' 0 CA--C 1.489 -1.379 0 N-CA-C 108.497 -0.927 . . . . 27.13 108.497 171.994 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 751' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -100.22 136.99 39.26 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 107.88 -1.155 . . . . 24.3 107.88 179.422 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 752' ' ' PHE . . . . . . . . . . . . . 20.3 m-30 -111.15 119.91 40.53 Favored 'General case' 0 CA--C 1.563 1.464 0 CA-C-O 120.998 0.427 . . . . 27.94 111.655 178.454 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 753' ' ' ILE . . . . . . . . . . . . . 5.3 mt -97.52 125.87 50.54 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 O-C-N 121.559 -0.713 . . . . 29.26 110.119 173.281 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 754' ' ' ILE . . . . . . . . . . . . . 19.4 mm -93.45 98.62 8.5 Favored 'Isoleucine or valine' 0 CA--C 1.576 1.953 0 CA-C-O 118.369 -0.824 . . . . 36.23 112.156 169.797 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 755' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -69.32 -176.65 0.98 Allowed 'General case' 0 N--CA 1.515 2.819 0 N-CA-C 115.135 1.532 . . . . 64.94 115.135 173.237 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 756' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 2.651 0 N-CA-C 109.847 -1.301 . . . . 46.82 109.847 177.147 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' HOH . . . . . 0.497 ' O ' ' HE3' ' A' ' 716' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 5' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 6' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 7' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 8' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 9' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 10' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 11' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 12' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 13' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 14' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 15' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 16' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 17' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 18' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 19' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 20' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 21' ' ' HOH . . . . . 0.833 ' O ' ' HD3' ' A' ' 667' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' HOH . . . . . 0.618 ' O ' ' HG3' ' A' ' 696' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' HOH . . . . . 0.695 ' O ' ' HA3' ' A' ' 671' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 25' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 26' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 27' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 28' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 29' ' ' HOH . . . . . 1.027 ' O ' ' HG3' ' A' ' 699' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' HOH . . . . . 0.636 ' O ' ' CE ' ' A' ' 699' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 32' ' ' HOH . . . . . 0.61 ' O ' HG23 ' A' ' 706' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 34' ' ' HOH . . . . . 1.007 ' O ' ' HB3' ' A' ' 709' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 667' ' ' PRO . . . . . 0.833 ' HD3' ' O ' ' A' ' 21' ' ' HOH . 10.4 Cg_exo . . . . . 0 N--CA 1.453 -0.865 0 N-CA-C 113.201 0.423 . . . . 57.090000000000003 113.201 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 668' ' ' THR . . . . . 0.645 ' HB ' ' OG ' ' A' ' 691' ' ' SER . 2.2 m -124.55 82.14 2.01 Favored 'General case' 0 C--O 1.263 1.796 0 C-N-CA 118.556 -1.258 . . . . 61.229999999999997 114.308 166.6 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 669' ' ' ILE . . . . . . . . . . . . . 82.3 mt -76.7 140.99 16.28 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.04 0 C-N-CA 118.774 -1.17 . . . . 55.560000000000002 110.869 -176.583 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 670' ' ' THR . . . . . . . . . . . . . 1.8 p -133.93 172.28 13.02 Favored 'General case' 0 CA--C 1.555 1.138 0 N-CA-C 107.163 -1.421 . . . . 57.939999999999998 107.163 173.776 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 671' ' ' GLY . . . . . 0.695 ' HA3' ' O ' ' A' ' 23' ' ' HOH . . . 96.02 154.07 30.22 Favored Glycine 0 C--O 1.25 1.145 0 N-CA-C 117.289 1.676 . . . . 56.32 117.289 178.041 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 672' ' ' ASN . . . . . . . . . . . . . 56.1 p30 -62.98 42.72 0.01 OUTLIER 'General case' 0 C--O 1.254 1.302 1 N-CA-C 123.001 4.445 . . . . 54.899999999999999 123.001 -162.148 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 673' ' ' LEU . . . . . . . . . . . . . 17.6 tp -81.37 98.22 8.09 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 118.141 -1.424 . . . . 48.539999999999999 109.678 170.688 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 674' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -133.67 154.6 50.8 Favored 'General case' 0 CA--C 1.482 -1.66 0 CA-C-N 114.877 -1.056 . . . . 65.599999999999994 108.301 -179.161 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 675' ' ' ASN . . . . . 0.458 ' O ' ' HB3' ' A' ' 676' ' ' GLN . 88.1 m-20 -50.22 146.49 5.02 Favored 'General case' 0 CA--C 1.49 -1.353 0 O-C-N 124.215 0.947 . . . . 46.299999999999997 111.794 173.505 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 676' ' ' GLN . . . . . 0.458 ' HB3' ' O ' ' A' ' 675' ' ' ASN . 20.9 pt20 -172.1 155.1 3.59 Favored 'General case' 0 CA--C 1.486 -1.498 0 N-CA-C 118.546 2.795 . . . . 36.560000000000002 118.546 -179.357 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 677' ' ' THR . . . . . . . . . . . . 0.253 0.3 OUTLIER -117.54 138.92 51.59 Favored 'General case' 0 N--CA 1.437 -1.1 0 CA-C-N 111.484 -2.598 . . . . 42.68 109.031 -170.818 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 678' ' ' THR . . . . . . . . . . . . . 1.8 m -145.16 143.72 30.49 Favored 'General case' 0 N--CA 1.425 -1.706 0 N-CA-C 107.284 -1.376 . . . . 34.539999999999999 107.284 -175.406 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 679' ' ' SER . . . . . . . . . . . . . 7.3 m -80.07 137.83 36.85 Favored 'General case' 0 CA--C 1.491 -1.317 0 CA-C-N 113.413 -1.721 . . . . 33.259999999999998 107.349 175.553 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 680' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -45.85 144.14 0.65 Allowed 'Isoleucine or valine' 0 C--O 1.195 -1.813 0 CA-C-N 113.664 -1.607 . . . . 44.450000000000003 111.773 175.189 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 681' ' ' GLY . . . . . . . . . . . . . . . 73.75 -3.48 34.89 Favored Glycine 0 C--O 1.198 -2.112 0 CA-C-O 117.689 -1.617 . . . . 27.859999999999999 115.125 -173.585 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 682' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -96.23 -160.75 0.81 Allowed 'General case' 0 C--O 1.247 0.964 0 CA-C-N 121.347 2.573 . . . . 60.850000000000001 114.436 174.477 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 683' ' ' SER . . . . . . . . . . . . 0.259 3.4 m -117.77 148.78 41.72 Favored 'General case' 0 CA--C 1.498 -1.041 0 C-N-CA 124.808 1.243 . . . . 25.329999999999998 110.779 -171.215 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 684' ' ' ILE . . . . . . . . . . . . . 31.9 mt -120.98 132.92 69.24 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 N-CA-C 108.103 -1.073 . . . . 22.859999999999999 108.103 163.863 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 685' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -125.58 108.58 11.73 Favored 'General case' 0 C--N 1.309 -1.163 0 N-CA-C 106.556 -1.646 . . . . 56.18 106.556 177.918 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 686' ' ' VAL . . . . . . . . . . . . . 26.8 m -126.91 170.37 16.95 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.375 0 C-N-CA 117.078 -1.849 . . . . 26.300000000000001 110.092 173.907 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 687' ' ' SER . . . . . . . . . . . . . 5.3 p -152.91 144.41 23.37 Favored 'General case' 0 C--O 1.211 -0.946 0 N-CA-C 115.659 1.726 . . . . 33.210000000000001 115.659 173.773 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 688' ' ' CYS . . . . . . . . . . . . . 80.9 m -112.91 142.47 45.54 Favored 'General case' 0 C--N 1.331 -0.204 0 O-C-N 124.189 0.93 . . . . 46.140000000000001 110.555 166.824 -70.858 -176.496 -80.702 103.302 2.041 109.116 -169.407 77.99 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 689' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -134.47 123.49 24.06 Favored 'General case' 0 C--O 1.21 -0.999 0 N-CA-C 107.886 -1.153 . . . . 47.740000000000002 107.886 173.144 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 690' ' ' ALA . . . . . . . . . . . . . . . -96.23 152.23 18.76 Favored 'General case' 0 CA--C 1.563 1.444 0 N-CA-C 115.655 1.724 . . . . 47.310000000000002 115.655 178.3 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 691' ' ' SER . . . . . 0.645 ' OG ' ' HB ' ' A' ' 668' ' ' THR . 87.4 p . . . . . 0 N--CA 1.493 1.696 0 C-N-CA 124.568 1.147 . . . . 52.18 110.262 173.765 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 696' ' ' PRO . . . . . 0.618 ' HG3' ' O ' ' A' ' 22' ' ' HOH . 42.6 Cg_endo . . . . . 0 CA--C 1.502 -1.107 0 CA-C-O 119.469 -0.305 . . . . 61.200000000000003 111.412 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 697' ' ' GLN . . . . . . . . . . . . . . . -78.05 127.96 33.13 Favored 'General case' 0 C--O 1.258 1.503 0 O-C-N 124.968 1.417 . . . . 58.18 113.088 -177.989 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 698' ' ' ILE . . . . . . . . . . . . . 5.6 mt -89.39 130.55 38.54 Favored 'Isoleucine or valine' 0 C--N 1.349 0.572 0 O-C-N 124.381 1.051 . . . . 57.369999999999997 112.736 175.056 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 699' ' ' MET . . . . . 1.027 ' HG3' ' O ' ' A' ' 29' ' ' HOH . 84.0 mmm -124.03 148.94 46.63 Favored 'General case' 0 N--CA 1.489 1.478 0 CA-C-N 115.611 -0.722 . . . . 77.969999999999999 112.219 177.29 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 700' ' ' TRP . . . . . . . . . . . . . 85.5 m95 -119.86 140.87 50.16 Favored 'General case' 0 N--CA 1.482 1.17 0 CA-C-O 118.984 -0.531 . . . . 40.869999999999997 112.131 -173.567 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 701' ' ' PHE . . . . . 0.428 ' CD2' ' N ' ' A' ' 701' ' ' PHE . 8.0 m-85 -128.23 152.06 48.53 Favored 'General case' 0 C--O 1.251 1.167 0 N-CA-C 113.953 1.094 . . . . 41.75 113.953 174.962 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 702' ' ' LYS . . . . . . . . . . . . . 8.1 tttm -127.66 123.75 36.3 Favored 'General case' 0 C--O 1.263 1.766 0 C-N-CA 118.464 -1.294 . . . . 42.479999999999997 107.97 170.633 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 703' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 49.84 53.02 13.5 Favored 'General case' 0 N--CA 1.482 1.172 0 O-C-N 125.288 1.617 . . . . 45.560000000000002 106.743 -172.817 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 704' ' ' ASN . . . . . . . . . . . . . 27.0 m120 48.04 42.61 17.07 Favored 'General case' 0 C--O 1.198 -1.614 0 CA-C-N 112.992 -1.913 . . . . 51.479999999999997 114.084 -178.641 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 705' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -139.34 160.22 40.34 Favored 'General case' 0 N--CA 1.424 -1.757 0 C-N-CA 118.952 -1.099 . . . . 72.0 108.185 172.348 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 706' ' ' THR . . . . . 0.61 HG23 ' O ' ' A' ' 32' ' ' HOH . 54.4 m -65.19 140.61 58.78 Favored 'General case' 0 N--CA 1.427 -1.588 0 N-CA-C 105.779 -1.934 . . . . 50.259999999999998 105.779 -173.266 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 707' ' ' LEU . . . . . 0.404 ' HA ' HD12 ' A' ' 707' ' ' LEU . 26.7 tp -65.85 105.6 1.33 Allowed 'General case' 0 N--CA 1.423 -1.815 0 CA-C-N 112.714 -2.039 . . . . 48.299999999999997 108.745 -177.201 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 708' ' ' VAL . . . . . . . . . . . . . 15.3 t -64.7 100.6 0.29 Allowed 'Isoleucine or valine' 0 CA--C 1.557 1.224 0 CA-C-N 119.31 0.959 . . . . 48.619999999999997 112.739 172.903 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 709' ' ' GLU . . . . . 1.007 ' HB3' ' O ' ' A' ' 34' ' ' HOH . 24.0 mt-10 -54.41 141.33 30.92 Favored 'General case' 0 CA--C 1.571 1.776 0 CA-C-N 120.467 1.485 . . . . 61.619999999999997 111.322 169.904 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 710' ' ' ASP . . . . . 0.524 ' N ' ' O ' ' A' ' 34' ' ' HOH . 1.4 p30 -147.15 168.74 20.87 Favored 'General case' 0 CA--C 1.496 -1.124 0 N-CA-C 102.381 -3.192 . . . . 41.259999999999998 102.381 175.46 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 711' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -46.22 -25.36 0.6 Allowed 'General case' 0 N--CA 1.422 -1.834 0 N-CA-C 117.186 2.291 . . . . 26.219999999999999 117.186 -177.476 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 712' ' ' GLY . . . . . 0.425 ' O ' ' HA ' ' A' ' 724' ' ' ILE . . . -95.21 -4.4 61.19 Favored Glycine 0 C--N 1.351 1.408 0 CA-C-N 119.028 0.831 . . . . 21.09 113.702 -179.975 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 713' ' ' ILE . . . . . . . . . . . . . 66.8 mt -116.96 117.31 55.0 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 N-CA-C 107.045 -1.465 . . . . 29.18 107.045 -175.617 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 714' ' ' VAL . . . . . . . . . . . . . 79.9 t -129.31 118.23 45.37 Favored 'Isoleucine or valine' 0 C--O 1.246 0.883 0 N-CA-C 108.169 -1.049 . . . . 33.380000000000003 108.169 -172.464 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 715' ' ' LEU . . . . . 0.45 HD23 ' HA ' ' A' ' 715' ' ' LEU . 61.0 mt -90.44 133.31 35.11 Favored 'General case' 0 N--CA 1.498 1.939 0 CA-C-N 114.912 -1.04 . . . . 33.649999999999999 111.665 169.939 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 716' ' ' LYS . . . . . 0.497 ' HE3' ' O ' ' A' ' 2' ' ' HOH . 0.0 OUTLIER -128.23 156.8 42.39 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 113.804 1.038 . . . . 59.259999999999998 113.804 175.795 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 717' ' ' ASP . . . . . . . . . . . . . 53.7 t0 60.97 66.43 0.9 Allowed 'General case' 0 CA--C 1.47 -2.109 0 CA-C-N 115.111 -0.95 . . . . 34.25 110.487 164.511 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 718' ' ' GLY . . . . . . . . . . . . . . . 67.29 25.33 73.61 Favored Glycine 0 N--CA 1.411 -2.985 0 C-N-CA 119.261 -1.447 . . . . 30.789999999999999 109.642 176.514 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 719' ' ' ASN . . . . . . . . . . . . . 51.3 m-20 64.8 22.2 12.5 Favored 'General case' 0 CA--C 1.478 -1.824 0 N-CA-C 114.224 1.194 . . . . 38.75 114.224 -178.625 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 720' ' ' ARG . . . . . . . . . . . . . 71.7 mtt85 -81.27 -34.7 31.88 Favored 'General case' 0 N--CA 1.431 -1.42 0 N-CA-C 113.929 1.085 . . . . 31.219999999999999 113.929 174.198 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 721' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -96.35 123.32 39.95 Favored 'General case' 0 CA--C 1.49 -1.358 0 CA-C-N 119.368 0.985 . . . . 53.710000000000001 112.242 178.636 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 722' ' ' LEU . . . . . . . . . . . . . 18.9 tp -106.54 128.95 54.52 Favored 'General case' 0 N--CA 1.468 0.469 0 O-C-N 124.234 0.959 . . . . 25.129999999999999 109.267 172.443 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 723' ' ' THR . . . . . . . . . . . . . 97.9 m -126.16 133.37 51.6 Favored 'General case' 0 N--CA 1.502 2.127 0 CA-C-N 115.959 -0.564 . . . . 24.120000000000001 111.785 173.013 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 724' ' ' ILE . . . . . 0.425 ' HA ' ' O ' ' A' ' 712' ' ' GLY . 7.4 mt -121.37 122.48 67.41 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.71 0 N-CA-C 106.959 -1.497 . . . . 19.07 106.959 176.007 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 725' ' ' ARG . . . . . . . . . . . . . 52.0 mtt85 -107.61 144.23 34.93 Favored 'General case' 0 N--CA 1.448 -0.565 0 O-C-N 123.79 0.681 . . . . 59.380000000000003 109.943 -178.184 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 726' ' ' ARG . . . . . . . . . . . . . 88.8 mtt180 58.23 54.84 5.47 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 108.417 -0.957 . . . . 19.870000000000001 108.417 178.588 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 727' ' ' VAL . . . . . . . . . . . . . 27.5 m -57.41 139.32 17.16 Favored 'Isoleucine or valine' 0 CA--C 1.491 -1.325 0 N-CA-C 108.156 -1.053 . . . . 26.890000000000001 108.156 -173.939 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 728' ' ' ARG . . . . . . . . . . . . . 16.9 ptt180 -120.5 178.44 4.67 Favored 'General case' 0 CA--C 1.562 1.411 0 CA-C-N 115.125 -0.943 . . . . 42.0 111.489 172.275 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 729' ' ' LYS . . . . . . . . . . . . . 26.4 tptt -59.87 -45.47 92.36 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 120.045 -0.662 . . . . 52.189999999999998 112.382 -177.247 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 730' ' ' GLU . . . . . 0.519 ' CD ' ' H ' ' A' ' 730' ' ' GLU . 3.3 mp0 -53.03 -4.85 0.03 OUTLIER 'General case' 0 CA--C 1.566 1.588 0 N-CA-C 116.382 1.993 . . . . 67.159999999999997 116.382 175.623 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 731' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -90.82 -0.89 57.85 Favored 'General case' 0 N--CA 1.488 1.441 0 CA-C-N 119.902 1.228 . . . . 32.810000000000002 108.579 -177.664 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 732' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -84.51 136.89 33.63 Favored 'General case' 0 N--CA 1.428 -1.564 0 N-CA-C 106.682 -1.599 . . . . 41.509999999999998 106.682 -167.368 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 733' ' ' GLY . . . . . . . . . . . . . . . 156.61 -166.58 33.37 Favored Glycine 0 N--CA 1.405 -3.409 0 C-N-CA 116.44 -2.79 . . . . 26.289999999999999 108.044 -178.425 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 734' ' ' LEU . . . . . . . . . . . . . 12.8 tp -107.59 121.88 45.55 Favored 'General case' 0 N--CA 1.44 -0.933 0 N-CA-C 108.004 -1.109 . . . . 28.149999999999999 108.004 -167.942 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 735' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 -113.5 128.99 56.64 Favored 'General case' 0 CA--C 1.49 -1.33 0 N-CA-C 107.45 -1.315 . . . . 29.879999999999999 107.45 -169.74 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 736' ' ' THR . . . . . 0.438 ' CG2' ' HG2' ' A' ' 747' ' ' LYS . 4.0 m -118.1 134.84 54.62 Favored 'General case' 0 CA--C 1.491 -1.301 0 C-N-CA 120.088 -0.645 . . . . 33.490000000000002 111.966 179.101 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 737' ' ' CYS . . . . . 0.471 ' SG ' ' O ' ' A' ' 737' ' ' CYS . 12.0 p -113.75 120.55 41.19 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 118.418 -1.313 . . . . 41.259999999999998 108.362 168.944 77.99 -169.407 -80.702 109.116 2.041 103.302 -176.496 -70.858 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 738' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -111.84 136.39 51.2 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.584 -1.189 . . . . 44.460000000000001 113.557 -173.788 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 739' ' ' ALA . . . . . . . . . . . . . . . -113.14 126.75 55.79 Favored 'General case' 0 N--CA 1.482 1.149 0 N-CA-C 105.304 -2.109 . . . . 58.950000000000003 105.304 172.208 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 740' ' ' CYS . . . . . 0.552 ' C ' ' O ' ' A' ' 22' ' ' HOH . 0.7 OUTLIER . . . . . 0 C--O 1.29 3.191 0 CA-C-N 114.943 -1.026 . . . . 75.049999999999997 112.079 -169.405 -106.282 -11.631 -2.428 112.551 2.988 156.106 27.594 -134.477 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 745' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.276 2.475 0 N-CA-C 109.796 -0.446 . . . . 76.780000000000001 109.796 . -134.477 27.594 -2.428 156.106 2.988 112.551 -11.631 -106.282 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 746' ' ' ALA . . . . . . . . . . . . . . . -113.34 166.88 11.05 Favored 'General case' 0 C--N 1.413 3.352 0 O-C-N 117.268 -3.395 . . . . 53.039999999999999 109.176 -178.902 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 747' ' ' LYS . . . . . 0.438 ' HG2' ' CG2' ' A' ' 736' ' ' THR . 4.0 ttpt -155.45 149.26 25.39 Favored 'General case' 0 N--CA 1.431 -1.382 0 CA-C-N 116.292 -0.413 . . . . 46.960000000000001 110.69 -174.637 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 748' ' ' VAL . . . . . . . . . . . . . 59.2 t -132.12 145.24 35.07 Favored 'Isoleucine or valine' 0 C--O 1.257 1.469 0 N-CA-C 107.001 -1.481 . . . . 36.060000000000002 107.001 163.357 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 749' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -119.89 148.45 43.48 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 119.44 -0.904 . . . . 53.909999999999997 110.492 177.393 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 750' ' ' ALA . . . . . . . . . . . . . . . -151.34 142.17 22.88 Favored 'General case' 0 CA--C 1.489 -1.379 0 N-CA-C 108.497 -0.927 . . . . 27.129999999999999 108.497 171.994 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 751' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -100.22 136.99 39.26 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 107.88 -1.155 . . . . 24.300000000000001 107.88 179.422 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 752' ' ' PHE . . . . . . . . . . . . . 20.3 m-30 -111.15 119.91 40.53 Favored 'General case' 0 CA--C 1.563 1.464 0 CA-C-O 120.998 0.427 . . . . 27.940000000000001 111.655 178.454 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 753' ' ' ILE . . . . . . . . . . . . . 5.3 mt -97.52 125.87 50.54 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 O-C-N 121.559 -0.713 . . . . 29.260000000000002 110.119 173.281 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 754' ' ' ILE . . . . . . . . . . . . . 19.4 mm -93.45 98.62 8.5 Favored 'Isoleucine or valine' 0 CA--C 1.576 1.953 0 CA-C-O 118.369 -0.824 . . . . 36.229999999999997 112.156 169.797 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 755' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -69.32 -176.65 0.98 Allowed 'General case' 0 N--CA 1.515 2.819 0 N-CA-C 115.135 1.532 . . . . 64.939999999999998 115.135 173.237 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 756' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 2.651 0 N-CA-C 109.847 -1.301 . . . . 46.82 109.847 177.147 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' HOH . . . . . 0.497 ' O ' ' HE3' ' A' ' 716' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' HOH . . . . . 0.833 ' O ' ' HD3' ' A' ' 667' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' HOH . . . . . 0.618 ' O ' ' HG3' ' A' ' 696' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' HOH . . . . . 0.695 ' O ' ' HA3' ' A' ' 671' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' HOH . . . . . 1.027 ' O ' ' HG3' ' A' ' 699' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' HOH . . . . . 0.636 ' O ' ' CE ' ' A' ' 699' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' HOH . . . . . 0.61 ' O ' HG23 ' A' ' 706' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' HOH . . . . . 1.007 ' O ' ' HB3' ' A' ' 709' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_